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Information card for entry 4000018
Preview
Coordinates | 4000018.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H16 Co N4 Rb S12 Se8 |
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Calculated formula | C22 H16 Co0.25 N4 Rb0.25 S12 Se8 |
SMILES | C1CSC2=C(S1)[Se]C(=C1[Se]C3=C([Se]1)SCCS3)[Se]2.C1CSC2=C(S1)[Se]C(=C1[Se]C3=C([Se]1)SCCS3)[Se]2.S=C=N[Co](N=C=S)(N=C=S)N=C=S.[Rb+] |
Title of publication | Control of Electronic State by Dihedral Angle in θ-type Bis(ethylenedithio)tetraselenafulvalene Salts |
Authors of publication | Mori, Hatsumi; Sakurai, Naoki; Tanaka, Shoji; Moriyama, Hiroshi; Mori, Takehiko; Kobayashi, Hayao; Kobayashi, Akiko |
Journal of publication | Chemistry of Materials |
Year of publication | 2000 |
Journal volume | 12 |
Journal issue | 10 |
Pages of publication | 2984 - 2987 |
a | 10.128 ± 0.009 Å |
b | 43.97 ± 0.01 Å |
c | 4.71 ± 0.01 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2098 ± 4 Å3 |
Cell temperature | 298.2 K |
Ambient diffraction temperature | 298.2 K |
Number of distinct elements | 7 |
Space group number | 23 |
Hermann-Mauguin space group symbol | I 2 2 2 |
Hall space group symbol | I 2 2 |
Residual factor for significantly intense reflections | 0.0799 |
Weighted residual factors for significantly intense reflections | 0.0476 |
Goodness-of-fit parameter for significantly intense reflections | 3.412 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKa |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4000018.html
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